1803-0005 Screening compound: 1-[2-(4-methylphenoxy)ethyl]-2-{[(naphthalen-1-yl)methyl]sulfanyl}-1H-1,3-benzodiazole

1803-0005 Screening compound: 1-[2-(4-methylphenoxy)ethyl]-2-{[(naphthalen-1-yl)methyl]sulfanyl}-1H-1,3-benzodiazole
1803-0005 Screening compound: 1-[2-(4-methylphenoxy)ethyl]-2-{[(naphthalen-1-yl)methyl]sulfanyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 1803-0005
1-[2-(4-methylphenoxy)ethyl]-2-{[(naphthalen-1-yl)methyl]sulfanyl}-1H-1,3-benzodiazole

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

1803-0005

Molecular Formula

C27H24N2OS (C27 H24 N2 OS)

Compound Name

1-[2-(4-methylphenoxy)ethyl]-2-{[(naphthalen-1-yl)methyl]sulfanyl}-1H-1,3-benzodiazole

IUPAC name

1-[2-(4-methylphenoxy)ethyl]-2-{[(naphthalen-1-yl)methyl]sulfanyl}-1H-13-benzodiazole

SMILES

Cc(cc1)ccc1OCCn1c(SCc2cccc3ccccc23)nc2c1cccc2

InChI

InChI=1S/C27H24N2OS/c1-20-13-15-23(16-14-20)30-18-17-29-26-12-5-4-11-25(26)28-27(29)31-19-22-9-6-8-21-7-2-3-10-24(21)22/h2-16H,17-19H2,1H3

InChI Key

WJPYCUGESMLGQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01072833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.57

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.693

Distribution Coefficient, logD

7.693

Water Solubility, LogSw

-6.87

Polar Surface Area

17.602

Acid Dissociation Constant (pKa)

23.45

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

1803-0005 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 1803-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1803-0005?
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What is the minimum amount of 1803-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1803-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1803-0005
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 1803-0005 available by request